For our computations, we chose the contracted STO-3G basis [1]} that contains eight spinorbitals in total, COBYLA optimizer [2]}, Jordan-Wigner mapping scheme [3]}, and the UCCD variational form [4]}. We considered two options for \(\theta _{init}\) : zero initial guess, and the parameters built from many-body perturbation theory taken to second order in energy (MP2). We also worked with two choices for the backend simulator: the statevector and the QASM backend. We set a Trotter step of one for all our calculations. Also, we have employed the direct spinorbital to qubit mapping: that is each spinorbital is represented as one qubit, independent of the occupancy of the spinorbitals.
